Design and Synthesis of Antimicrobial Active ( E )‐(3‐(Substituted‐styryl)‐7 H ‐furo[2,3‐ f ]chromen‐2‐ yl )(phenyl)methanone Derivatives and Their In Silico Molecular Docking Studies

• Published in: Journal of heterocyclic chemistry 2019-01, Vol.56 (1), p.73-80
• Main Authors: Boddupally, Srinivas, Jyothi, Prashanth, Rao, Mandava Venkata Basaveswara, Rao, Koya Prabhakara
• Format: Article
• Language: English
• ISSN: 0022-152X; 1943-5193
• DOI: 10.1002/jhet.3373

Nine new ( E )‐(3‐(substituted‐styryl)‐7 H ‐furo[2,3‐ f ]chromen‐2‐yl)(phenyl)methanone derivatives, 7 ( a – i ), with an efficient microwave‐assisted synthetic method was achieved by reacting with ( E )‐3‐(aryl)‐1‐(5‐hydroxy‐2 H ‐chromen‐6‐yl)prop‐2‐en‐1‐ones and 2‐bromo‐1‐(4‐bromophenyl)ethanone. The microwave irradiation method was found to be best with high yields and with shorter reaction times compared with the conventional method. All the new products structural assignments were confirmed by spectral data like FTIR, 1 H NMR, 13 C NMR, ESI MS, and analytical data. Moreover, these newly synthesized compounds were tested in vitro for their antimicrobial activity against various bacterial and fungal strains. Some of these new chromen derivatives like 7b , 7c , and 7d exhibits good antibacterial and antifungal activities. Furthermore, these biological evolution results were a good correlation with molecular docking studies performed based on their computational DFT minimized structures exhibited high binding energies.